Cas no 236736-21-3 (4,5-Difluoro-1H-benzodimidazole)
4,5-Difluoro-1H-benzodimidazole Chemical and Physical Properties
Names and Identifiers
-
- 4,5-Difluoro-1H-benzo[d]imidazole
- 1H-Benzimidazole,6,7-difluoro-
- 4,5-DIFLUOROBENZIMIDAZOLE
- 6,7-Difluorobenzimidazole
- 4,5-difluoro-1H-1,3-benzodiazole
- AC1MC6I7
- ACMC-209g4r
- PubChem6521
- SureCN1193116
- SureCN1193118
- EN300-801926
- 1H-Benzimidazole,4,5-difluoro-(9ci)
- 4, 5-difluoro-1H-benzimidazole
- JNEWVMQNHBQHHL-UHFFFAOYSA-N
- 4,5-difluoro-1H-benzimidazole
- MFCD00153122
- AKOS006228081
- SCHEMBL1193118
- 6,7-difluoro-1H-1,3-benzodiazole
- F82809
- PS-6459
- CS-0146716
- SCHEMBL1193116
- 1H-Benzimidazole, 6,7-difluoro-
- AKOS015999422
- 6,7-Difluoro-1H-benzo[d]imidazole
- FT-0676371
- DTXSID40371701
- 236736-21-3
- DB-058040
- XH0012
- 4,5-Difluoro-1H-benzodimidazole
-
- MDL: MFCD00153122
- Inchi: 1S/C7H4F2N2/c8-4-1-2-5-7(6(4)9)11-3-10-5/h1-3H,(H,10,11)
- InChI Key: JNEWVMQNHBQHHL-UHFFFAOYSA-N
- SMILES: FC1=C(C=CC2=C1N=CN2)F
Computed Properties
- Exact Mass: 154.034
- Monoisotopic Mass: 154.034
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 153
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 28.7A^2
- XLogP3: 1.7
Experimental Properties
- Density: 1.5±0.1 g/cm3
- Boiling Point: 369.5±22.0 °C at 760 mmHg
- Flash Point: 177.3±22.3 °C
- Vapor Pressure: 0.0±0.8 mmHg at 25°C
4,5-Difluoro-1H-benzodimidazole Security Information
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
4,5-Difluoro-1H-benzodimidazole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | D445918-10mg |
4,5-Difluoro-1H-benzo[d]imidazole |
236736-21-3 | 10mg |
$ 50.00 | 2022-06-02 | ||
| TRC | D445918-50mg |
4,5-Difluoro-1H-benzo[d]imidazole |
236736-21-3 | 50mg |
$ 65.00 | 2022-06-02 | ||
| TRC | D445918-100mg |
4,5-Difluoro-1H-benzo[d]imidazole |
236736-21-3 | 100mg |
$ 80.00 | 2022-06-02 | ||
| Fluorochem | 008180-1g |
4,5-Difluorobenzimidazole |
236736-21-3 | 95% | 1g |
£100.00 | 2022-03-01 | |
| Fluorochem | 008180-5g |
4,5-Difluorobenzimidazole |
236736-21-3 | 95% | 5g |
£300.00 | 2022-03-01 | |
| Fluorochem | 008180-25g |
4,5-Difluorobenzimidazole |
236736-21-3 | 95% | 25g |
£850.00 | 2022-03-01 | |
| Chemenu | CM152942-5g |
4,5-Difluorobenzimidazole |
236736-21-3 | 95% | 5g |
$213 | 2021-06-09 | |
| Chemenu | CM152942-10g |
4,5-Difluorobenzimidazole |
236736-21-3 | 95% | 10g |
$363 | 2021-06-09 | |
| Chemenu | CM152942-25g |
4,5-Difluorobenzimidazole |
236736-21-3 | 95% | 25g |
$604 | 2021-06-09 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 005191-500mg |
4,5-Difluorobenzimidazole |
236736-21-3 | 500mg |
1136CNY | 2021-05-07 |
4,5-Difluoro-1H-benzodimidazole Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
Additional information on 4,5-Difluoro-1H-benzodimidazole
4,5-Difluoro-1H-benzodimidazole (CAS No. 236736-21-3): A Versatile Building Block in Modern Chemistry
4,5-Difluoro-1H-benzodimidazole (CAS No. 236736-21-3) is a fluorinated heterocyclic compound that has gained significant attention in pharmaceutical and materials science research. This benzodimidazole derivative serves as a crucial building block for the synthesis of various biologically active molecules and functional materials. The presence of two fluorine atoms at the 4 and 5 positions of the benzodimidazole core imparts unique electronic properties that make this compound particularly valuable in drug discovery and material design.
The growing interest in fluorinated organic compounds like 4,5-Difluoro-1H-benzodimidazole stems from their ability to modulate biological activity and improve pharmacokinetic properties. Researchers are increasingly focusing on this compound due to its potential applications in developing small molecule therapeutics, particularly in areas such as oncology and infectious diseases. The difluorobenzodimidazole scaffold offers excellent opportunities for structure-activity relationship (SAR) studies, allowing medicinal chemists to fine-tune molecular properties for optimal biological effects.
In the field of organic electronics, 4,5-Difluoro-1H-benzodimidazole has shown promise as a precursor for constructing electron-deficient π-conjugated systems. These systems are essential components in organic light-emitting diodes (OLEDs), organic photovoltaics, and other advanced materials. The fluorine substituents enhance the electron-accepting character of the benzodimidazole moiety, making it particularly useful for designing novel n-type organic semiconductors with improved performance characteristics.
The synthesis of 4,5-Difluoro-1H-benzodimidazole typically involves multi-step procedures starting from appropriately substituted benzene derivatives. Recent advances in green chemistry approaches have focused on developing more sustainable routes to this valuable intermediate. Researchers are particularly interested in minimizing the use of hazardous reagents and optimizing reaction conditions to improve yields while reducing environmental impact. These developments align with the current industry trend toward more sustainable chemical manufacturing processes.
Analytical characterization of 4,5-Difluoro-1H-benzodimidazole typically involves a combination of techniques including nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry, and X-ray crystallography. The compound's purity and structural integrity are critical factors that determine its suitability for various applications. Advanced analytical methods have enabled researchers to better understand the compound's molecular properties and interactions, facilitating its rational use in different contexts.
From a commercial perspective, the demand for 4,5-Difluoro-1H-benzodimidazole has been steadily increasing due to its expanding applications. The compound is available from several specialty chemical suppliers, typically in research quantities. Current market trends indicate growing interest from both academic institutions and pharmaceutical companies, particularly those engaged in drug discovery programs targeting protein kinases and other important biological targets where the benzodimidazole scaffold shows particular promise.
Recent patent literature reveals numerous applications of 4,5-Difluoro-1H-benzodimidazole derivatives in various therapeutic areas. The compound's versatility as a synthetic intermediate has made it valuable for creating libraries of compounds for high-throughput screening. Its ability to participate in diverse chemical transformations while maintaining the integrity of its core structure makes it particularly attractive for combinatorial chemistry approaches that are central to modern drug discovery efforts.
Safety considerations for handling 4,5-Difluoro-1H-benzodimidazole follow standard laboratory protocols for organic compounds. While not classified as highly hazardous, proper personal protective equipment should be used when working with this material. Storage recommendations typically suggest keeping the compound in a cool, dry place away from strong oxidizing agents. These handling precautions are consistent with good laboratory practices for similar heterocyclic compounds.
The future outlook for 4,5-Difluoro-1H-benzodimidazole appears promising, with potential applications emerging in areas such as metal-organic frameworks (MOFs) and supramolecular chemistry. Researchers are exploring its use as a ligand for transition metal complexes and as a building block for functional materials with tailored properties. As synthetic methodologies continue to advance and new applications are discovered, this compound is likely to maintain its importance in chemical research and development.
In conclusion, 4,5-Difluoro-1H-benzodimidazole (CAS No. 236736-21-3) represents a valuable tool for chemists working across multiple disciplines. Its unique combination of structural features and functional group compatibility makes it particularly useful for creating novel molecules with desired properties. As research continues to uncover new applications for this versatile building block, its role in advancing both pharmaceutical science and materials chemistry is expected to grow significantly in the coming years.
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